1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C27H25N5O4 — CID 659456

IUPAC1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33)
InChIKeyDHDVVMIYKAPBOC-UHFFFAOYSA-N
MW483.53 g/mol
LogP4.24
Rot. Bonds9

About 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659456) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659456
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33)
InChIKeyDHDVVMIYKAPBOC-UHFFFAOYSA-N
XLogP4.24
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659456) is 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is DHDVVMIYKAPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-35-15-8-14-28-27(34)22-23-25(30-20-12-6-5-11-19(20)29-23)32(17-18-9-3-2-4-10-18)24(22)31-26(33)21-13-7-16-36-21/h2-7,9-13,16H,8,14-15,17H2,1H3,(H,28,34)(H,31,33).
What are the key properties of 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(furan-2-carbonylamino)-N-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).